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Ligand

NameE2-NMe3+
Molecular formulaC29H36NO2+
IUPAC name[4-[2-[(13S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]phenyl]-trimethylazanium
Molecular weight430.612
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM36492
Inchi KeyLFBIANRJUBEHEF-VVYVRQOISA-O
Inchi IDInChI=1S/C29H35NO2/c1-28-16-14-25-24-12-10-23(31)19-21(24)7-11-26(25)27(28)15-18-29(28,32)17-13-20-5-8-22(9-6-20)30(2,3)4/h5-6,8-10,12,19,25-27,32H,7,11,14-16,18H2,1-4H3/p+1/t25?,26?,27?,28-,29-/m0/s1
PubChem CID50997760
ChEMBLN/A
IUPHARN/A
BindingDB36492
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
460875G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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